3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine

C14H21N3 — CID 18702285

IUPAC3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine
SMILESCCCc1cc(NC)cc2c(CCN)c[nH]c12
InChIInChI=1S/C14H21N3/c1-3-4-10-7-12(16-2)8-13-11(5-6-15)9-17-14(10)13/h7-9,16-17H,3-6,15H2,1-2H3
InChIKeyCRFUVJDMFHVZPH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.66
Rot. Bonds5

About 3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine

3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine (PubChem CID 18702285) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine
PubChem CID18702285
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine
SMILESCCCc1cc(NC)cc2c(CCN)c[nH]c12
InChIInChI=1S/C14H21N3/c1-3-4-10-7-12(16-2)8-13-11(5-6-15)9-17-14(10)13/h7-9,16-17H,3-6,15H2,1-2H3
InChIKeyCRFUVJDMFHVZPH-UHFFFAOYSA-N
XLogP2.66
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine?
The IUPAC name of 3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine (CID 18702285) is 3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine.
What is the SMILES notation for 3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine?
The canonical SMILES for 3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine is CCCc1cc(NC)cc2c(CCN)c[nH]c12.
What is the InChIKey of 3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine?
The InChIKey is CRFUVJDMFHVZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-4-10-7-12(16-2)8-13-11(5-6-15)9-17-14(10)13/h7-9,16-17H,3-6,15H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine?
3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine has a molecular weight of 231.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine is sourced from PubChem (CID 18702285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).